Geometry & MOs

Info

ID:	62285
PubChem CID:	26718919
Reduced:	FN2O2C23H23 (1)
Stoich.:	AB2C2D23E23 (1)
Weight, g/mol:	443.166748
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	4.1
IP(EA), eV:	-8.23(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)pent-4-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)CCC3=CC=C(O3)C4=CC=CC=C4F

DOS

IR

Vibrations